(3S,5S,6R,8S)-8-Allyl-3-(tert-butyl)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-8-methyl-2,3,5,6,7,8-hexahydrooxazolo[3,2-a]pyridin-4-ium triflate

HCID 86660745
NotesReactions
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Basic information

Standard SMILES
C=CC[C@@]1(C)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)[N+]2=C1OC[C@@H]2C(C)(C)C.O=S(=O)([O-])C(F)(F)F
InChIKey
CDKOSHVPUIAPJI-CAXPNAMSSA-M
Molecular formula
C28H32Cl2F3NO4S
Average molar mass
606.5 g/mol

Names & identifiers

Preferred name
(3S,5S,6R,8S)-8-Allyl-3-(tert-butyl)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-8-methyl-2,3,5,6,7,8-hexahydrooxazolo[3,2-a]pyridin-4-ium triflate
IUPAC
(3S,5S,6R,8S)-3-tert-butyl-6-(3-chlorophenyl)-5-(4-chlorophenyl)-8-methyl-8-prop-2-enyl-3,5,6,7-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-4-ium;trifluoromethanesulfonate

Names & synonyms

(3S,5S,6R,8S)-8-Allyl-3-(tert-butyl)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-8-methyl-2,3,5,6,7,8-hexahydrooxazolo[3,2-a]pyridin-4-ium triflateSCHEMBL9991383

Database identifiers

PubChem CID
86660745

Properties

Computed structural properties

Topological polar surface area
77.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
39

Related reactions

4 records
New reaction record

Compound notes

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